Chemical Properties of Perhydrophenanthrene, 1A-(3R/S,7-dimethyloctyl)-2A,4bB,8,8,10aB-pentamethyl

InChI

InChI=1S/C29H54/c1-21(2)11-9-12-22(3)13-15-24-23(4)14-16-26-28(24,7)20-17-25-27(5,6)18-10-19-29(25,26)8/h21-26H,9-20H2,1-8H3/t22?,23-,24-,25?,26?,28-,29-/m0/s1

InChI Key

ODDWOZCOVPOZCZ-IYACWTRZSA-N

Formula

C29H54

SMILES

CC(C)CCCC(C)CCC1C(C)CCC2C1(C)CCC1C(C)(C)CCCC12C

Molecular Weight¹

402.74

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6451		Relay (... Calculated Property
ΔfG°	262.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-493.86	kJ/mol	Relay (... Calculated Property
ΔfusH°	33.12	kJ/mol	Joback Calculated Property
ΔvapH°	113.13	kJ/mol	Relay (... Calculated Property
IE	8.87	eV	Relay (... Calculated Property
log10WS	-9.07		Relay (... Calculated Property
logPoct/wat	9.524		Crippen Calculated Property
McVol	386.890	ml/mol	McGowan Calculated Property
Pc	831.46	kPa	Joback Calculated Property
Inp	[2891.00; 2891.00]
Inp	2891.00		NIST
Inp	2891.00		NIST
Tboil	671.37	K	Relay (... Calculated Property
Tc	905.47	K	Relay (... Calculated Property
Tfus	315.46	K	Relay (... Calculated Property
Vc	1.394	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1402.26; 1620.03]	J/mol×K	[885.65; 1100.89]
Cp,gas	1402.26	J/mol×K	885.65	Joback Calculated Property
Cp,gas	1436.58	J/mol×K	921.52	Joback Calculated Property
Cp,gas	1471.23	J/mol×K	957.40	Joback Calculated Property
Cp,gas	1506.55	J/mol×K	993.27	Joback Calculated Property
Cp,gas	1542.89	J/mol×K	1029.14	Joback Calculated Property
Cp,gas	1580.60	J/mol×K	1065.02	Joback Calculated Property
Cp,gas	1620.03	J/mol×K	1100.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Perhydrophenanthrene, 1A-(3R/S,7-dimethyloctyl)-2A,4bB,8,8,10aB-pentamethyl.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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